3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride

C8H17ClN2O — CID 122236501

IUPAC3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride
SMILESCCN1CCCC(CN)C1=O.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-2-10-5-3-4-7(6-9)8(10)11;/h7H,2-6,9H2,1H3;1H
InChIKeyQYZUPMZBRIQUFN-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.63
Rot. Bonds2

About 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride

3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride (PubChem CID 122236501) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride
PubChem CID122236501
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride
SMILESCCN1CCCC(CN)C1=O.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-2-10-5-3-4-7(6-9)8(10)11;/h7H,2-6,9H2,1H3;1H
InChIKeyQYZUPMZBRIQUFN-UHFFFAOYSA-N
XLogP0.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride (CID 122236501) is 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride is CCN1CCCC(CN)C1=O.Cl.
What is the InChIKey of 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride?
The InChIKey is QYZUPMZBRIQUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-2-10-5-3-4-7(6-9)8(10)11;/h7H,2-6,9H2,1H3;1H.
What are the key properties of 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride?
3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-ethylpiperidin-2-one;hydrochloride is sourced from PubChem (CID 122236501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).